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GRANDIFLOROSIDE-11-METHYLESTER
SpectraBase Compound ID DWDnXVKkTml
InChI InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(30)7-5-13-4-6-17(28)18(29)10-13)16(24(34)35-2)12-37-25(14)39-26-23(33)22(32)21(31)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-29,31-33H,1,8-9,11H2,2H3/b7-5+/t14-,15+,19+,21+,22-,23+,25+,26-/m1/s1
InChIKey VDDWXGQJLRBJBO-GEZZKXTISA-N
Mol Weight 552.5 g/mol
Molecular Formula C26H32O13
Exact Mass 552.184291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gMYU5Yn1M4
Name GRANDIFLOROSIDE-11-METHYLESTER
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O13
InChI InChI=1S/C26H32O13/c1-3-14-15(8-9-36-20(30)7-5-13-4-6-17(28)18(29)10-13)16(24(34)35-2)12-37-25(14)39-26-23(33)22(32)21(31)19(11-27)38-26/h3-7,10,12,14-15,19,21-23,25-29,31-33H,1,8-9,11H2,2H3/b7-5+/t14-,15+,19+,21+,22-,23+,25+,26-/m1/s1
InChIKey VDDWXGQJLRBJBO-GEZZKXTISA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,689(2007)
Literature Reference DOI 10.1248/cpb.55.689
Molecular Weight 552.532 g/mol
Sample ID 37460
Solvent CD3OD